Compound Detail
CHEMBL2179073
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Basic Information
| ChEMBL ID | CHEMBL2179073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFDRYCDHDMZGBD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
7.58
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.98
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor CHEMBL2176846 | IC50 | 4.98 | 4.8467 | 10530.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10600.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Advanced glycosylation end product-specific receptor | IC50 | = | 10530.0 | nM | 4.98 | Inhibition of biotinylated human RAGE/amyloid beta interaction incubated for 120... | 35430560 |
| Advanced glycosylation end product-specific receptor | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of human recombinant biotinylated receptor for advanced glycation end... | 22742537 |
| Advanced glycosylation end product-specific receptor | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of amyloid beta binding to biotin-labeled human RAGE domain V after 6... | 28482155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22742537 | 10.1021/jm300172z | Mus musculus | 8 |
| 22742537 | 10.1021/jm300172z | Advanced glycosylation end product-specific receptor | 5 |
| 22742537 | 10.1021/jm300172z | C6 | 1 |
| 24727489 | 10.1016/j.ejmech.2014.03.072 | Rattus norvegicus | 1 |
| 28482155 | 10.1021/acs.jmedchem.7b00058 | Advanced glycosylation end product-specific receptor | 1 |
| 28482155 | 10.1021/acs.jmedchem.7b00058 | HT-22 | 1 |
| 35430560 | 10.1016/j.ejmech.2022.114347 | Advanced glycosylation end product-specific receptor | 1 |
Data from ChEMBL 36 via Core Engine